Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28027989 | 0.70 | TSHR (0.47) | KMT2ASMN1; SMN2HSD17B10DRD1ALDH1A1 | |
| SCHEMBL9766388 | 0.69 | MEN1 (0.58) | MEN1KMT2ASMN1; SMN2L3MBTL1OPRM1 | |
| SCHEMBL28028150 | 0.69 | SLC6A2 (0.46) | MEN1KMT2AHTR2AALDH1A1GAA | |
| SCHEMBL19307849 | 0.65 | OPRM1 (0.53) | MEN1KMT2AOPRM1ESR1ESR2 | |
| SCHEMBL19307851 | 0.65 | OPRM1 (0.53) | MEN1KMT2AOPRM1ESR1ESR2 | |
| SCHEMBL11645243 | 0.65 | DRD1 (0.56) | SMN1; SMN2HSD17B10ESR1ESR2DRD1 | |
| SCHEMBL2467386 | 0.64 | OPRM1 (0.60) | SMN1; SMN2OPRM1ESR1ESR2OPRK1 | |
| SCHEMBL28027961 | 0.64 | TSHR (0.44) | KMT2AOPRM1HPGDGRM2 | |
| SCHEMBL13836265 | 0.64 | OPRM1 (0.60) | SMN1; SMN2OPRM1ESR1ESR2OPRK1 | |
| SCHEMBL11618119 | 0.64 | SLC6A2 (0.53) | KMT2AOPRM1HTR2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104854108-A | Pyrrolotriazinone derivatives as pi3k inhibitors | ALMIRALL SA | 2015-08-19 | — | — | CN | claimed |
| CN-104854108-A | Pyrrolotriazinone derivatives as pi3k inhibitors | ALMIRALL SA | 2015-08-19 | — | — | CN | disclosed |